5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one

C165H208ClFN64O9S — CID 157184370

IUPAC5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
SMILESC=C1NC(=O)c2ncn(C(C)C)c2N1.CC(C)C1=NCc2c(N)ncnc21.CC(C)c1cnc2n1N=CCC2=O.CC(C)c1cnn2c1N=CCC2=O.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(=S)nc(N)[nH]c21.CC(C)n1cnc2c1C=CCC2=O.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1N=NCC2=O.CC(C)n1cnc2cccnc21.CC(C)n1ncc2c1N=CCC2=O.CC(C)n1nnc2c1N=CCC2=O.CCc1ccnc2c1ncn2C(C)C.CNc1ccnc2c1ncn2C(C)C.Cc1ncc2ncn(C(C)C)c2n1.[C-]#[N+]c1cn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C11H15N3.C10H11ClN2.C10H11N5.C10H14N4.C10H12N2O.C9H11FN4.2C9H12N4O.2C9H12N4.4C9H11N3O.C9H11N3.C8H11N5S.2C8H10N4O/c1-4-9-5-6-12-11-10(9)13-7-14(11)8(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-6(2)15-4-7(12-3)8-9(11)13-5-14-10(8)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-5(2)7-8-6(3-11-7)9(10)13-4-12-8;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-6(2)12-9-7(5-11-12)8(13)3-4-10-9;1-6(2)7-5-10-9-8(13)3-4-11-12(7)9;1-6(2)7-5-11-12-8(13)3-4-10-9(7)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)12-4-9-7-6(13)3-10-11-8(7)12;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8/h5-8H,4H2,1-3H3;3-7H,1-2H3;4-6H,1-2H3,(H2,11,13,14);4-7H,1-3H3,(H,11,12);3-4,6-7H,5H2,1-2H3;3-5H,1-2H3,(H2,11,12);4-5,11H,3H2,1-2H3,(H,12,14);3-5H,1-2H3,(H3,10,12,14);4-6H,1-3H3;4-5H,3H2,1-2H3,(H2,10,12,13);3,5-6H,4H2,1-2H3;3*4-6H,3H2,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);2*4-5H,3H2,1-2H3
InChIKeyAOYFPOAVXHQIRA-UHFFFAOYSA-N
MW3318.44 g/mol
LogP31.12
Rot. Bonds20

About 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one

5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one (PubChem CID 157184370) has the molecular formula C165H208ClFN64O9S and a molecular weight of 3318.44 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
PubChem CID157184370
Molecular FormulaC165H208ClFN64O9S
Molecular Weight3318.44 g/mol
Exact Mass3315.72
IUPAC Name5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
SMILESC=C1NC(=O)c2ncn(C(C)C)c2N1.CC(C)C1=NCc2c(N)ncnc21.CC(C)c1cnc2n1N=CCC2=O.CC(C)c1cnn2c1N=CCC2=O.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(=S)nc(N)[nH]c21.CC(C)n1cnc2c1C=CCC2=O.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1N=NCC2=O.CC(C)n1cnc2cccnc21.CC(C)n1ncc2c1N=CCC2=O.CC(C)n1nnc2c1N=CCC2=O.CCc1ccnc2c1ncn2C(C)C.CNc1ccnc2c1ncn2C(C)C.Cc1ncc2ncn(C(C)C)c2n1.[C-]#[N+]c1cn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C11H15N3.C10H11ClN2.C10H11N5.C10H14N4.C10H12N2O.C9H11FN4.2C9H12N4O.2C9H12N4.4C9H11N3O.C9H11N3.C8H11N5S.2C8H10N4O/c1-4-9-5-6-12-11-10(9)13-7-14(11)8(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-6(2)15-4-7(12-3)8-9(11)13-5-14-10(8)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-5(2)7-8-6(3-11-7)9(10)13-4-12-8;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-6(2)12-9-7(5-11-12)8(13)3-4-10-9;1-6(2)7-5-10-9-8(13)3-4-11-12(7)9;1-6(2)7-5-11-12-8(13)3-4-10-9(7)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)12-4-9-7-6(13)3-10-11-8(7)12;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8/h5-8H,4H2,1-3H3;3-7H,1-2H3;4-6H,1-2H3,(H2,11,13,14);4-7H,1-3H3,(H,11,12);3-4,6-7H,5H2,1-2H3;3-5H,1-2H3,(H2,11,12);4-5,11H,3H2,1-2H3,(H,12,14);3-5H,1-2H3,(H3,10,12,14);4-6H,1-3H3;4-5H,3H2,1-2H3,(H2,10,12,13);3,5-6H,4H2,1-2H3;3*4-6H,3H2,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);2*4-5H,3H2,1-2H3
InChIKeyAOYFPOAVXHQIRA-UHFFFAOYSA-N
XLogP31.12
TPSA899.37 Ų
H-Bond Donors10
H-Bond Acceptors70
Rotatable Bonds20
Heavy Atoms241
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003318.44
LogP ≤ 531.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The IUPAC name of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one (CID 157184370) is 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one.
What is the SMILES notation for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The canonical SMILES for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one is C=C1NC(=O)c2ncn(C(C)C)c2N1.CC(C)C1=NCc2c(N)ncnc21.CC(C)c1cnc2n1N=CCC2=O.CC(C)c1cnn2c1N=CCC2=O.CC(C)n1c(F)nc2c(N)ccnc21.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CC(C)n1cnc2c(=S)nc(N)[nH]c21.CC(C)n1cnc2c1C=CCC2=O.CC(C)n1cnc2c1C=NCC2=O.CC(C)n1cnc2c1N=NCC2=O.CC(C)n1cnc2cccnc21.CC(C)n1ncc2c1N=CCC2=O.CC(C)n1nnc2c1N=CCC2=O.CCc1ccnc2c1ncn2C(C)C.CNc1ccnc2c1ncn2C(C)C.Cc1ncc2ncn(C(C)C)c2n1.[C-]#[N+]c1cn(C(C)C)c2ncnc(N)c12.
What is the InChIKey of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
The InChIKey is AOYFPOAVXHQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C10H11ClN2.C10H11N5.C10H14N4.C10H12N2O.C9H11FN4.2C9H12N4O.2C9H12N4.4C9H11N3O.C9H11N3.C8H11N5S.2C8H10N4O/c1-4-9-5-6-12-11-10(9)13-7-14(11)8(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-6(2)15-4-7(12-3)8-9(11)13-5-14-10(8)15;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-5(2)14-8-7(13-9(14)10)6(11)3-4-12-8;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-5(2)7-8-6(3-11-7)9(10)13-4-12-8;1-6(2)12-5-11-9-7(12)3-10-4-8(9)13;1-6(2)12-9-7(5-11-12)8(13)3-4-10-9;1-6(2)7-5-10-9-8(13)3-4-11-12(7)9;1-6(2)7-5-11-12-8(13)3-4-10-9(7)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)12-4-9-7-6(13)3-10-11-8(7)12;1-5(2)12-8-7(10-11-12)6(13)3-4-9-8/h5-8H,4H2,1-3H3;3-7H,1-2H3;4-6H,1-2H3,(H2,11,13,14);4-7H,1-3H3,(H,11,12);3-4,6-7H,5H2,1-2H3;3-5H,1-2H3,(H2,11,12);4-5,11H,3H2,1-2H3,(H,12,14);3-5H,1-2H3,(H3,10,12,14);4-6H,1-3H3;4-5H,3H2,1-2H3,(H2,10,12,13);3,5-6H,4H2,1-2H3;3*4-6H,3H2,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);2*4-5H,3H2,1-2H3.
What are the key properties of 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one?
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one has a molecular weight of 3318.44 g/mol, XLogP of 31.12, 20 rotatable bonds, 10 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one is sourced from PubChem (CID 157184370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).